minocyclineImported
A tetracycline analogue having a dimethylamino group at position 7 and lacking the methyl and hydroxy groups at position 5.
Defined bychebi
Exact Synonyms
(4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
Minocycline
Related Synonyms
(4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE
7-Dimethylamino-6-demethyl-6-deoxytetracycline
minociclina
minociclinum
minocycline
minomycin
class Information
charge
0
formula
C23H27N3O7
has_alternative_id
has_dbxref
- CAS:10118-90-8
- Chemspider:16735907
- DrugBank:DB01017
- Drug_Central:1813
- HMDB:HMDB0015152
- KEGG:C07225
- KEGG:D05045
- KNApSAcK:C00018686
- LIPID_MAPS_instance:LMPK07000002
- Patent:US3226436
- Patent:WO2008104734
- PDBeChem:MIY
- PMID:22330257
- PMID:28709717
- PMID:31630007
- PMID:31719236
- PMID:31733348
- PMID:33568043
- PMID:34232283
- PMID:34636517
- Reaxys:3077644
has_obo_namespace
chebi_ontology
inchi
InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m0/s1
inchikey
DYKFCLLONBREIL-KVUCHLLUSA-N
in_subset
mass
457.47650
monoisotopicmass
457.18490
smiles
[H][C@@]12Cc3c(ccc(O)c3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2)N(C)C
class Relations
Subclass of
Related from
has part
is conjugate base of
is tautomer of